UCSF

ZINC04171677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 9.88 -8.43 1 4 0 62 352.478 7
Mid Mid (pH 6-8) 4.57 0.16 -35.37 3 4 1 67 353.486 6
Mid Mid (pH 6-8) 3.98 -0.47 -38.68 2 4 1 63 353.486 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )